1-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutane-1-carboxamide

C12H20N4O — CID 114130261

IUPAC1-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutane-1-carboxamide
SMILESCc1cnn(CCNC(=O)C2(CN)CCC2)c1
InChIInChI=1S/C12H20N4O/c1-10-7-15-16(8-10)6-5-14-11(17)12(9-13)3-2-4-12/h7-8H,2-6,9,13H2,1H3,(H,14,17)
InChIKeyIIJUYXADEAILNV-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.44
Rot. Bonds5

About 1-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 114130261) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID114130261
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutane-1-carboxamide
SMILESCc1cnn(CCNC(=O)C2(CN)CCC2)c1
InChIInChI=1S/C12H20N4O/c1-10-7-15-16(8-10)6-5-14-11(17)12(9-13)3-2-4-12/h7-8H,2-6,9,13H2,1H3,(H,14,17)
InChIKeyIIJUYXADEAILNV-UHFFFAOYSA-N
XLogP0.44
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutane-1-carboxamide (CID 114130261) is 1-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutane-1-carboxamide is Cc1cnn(CCNC(=O)C2(CN)CCC2)c1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is IIJUYXADEAILNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10-7-15-16(8-10)6-5-14-11(17)12(9-13)3-2-4-12/h7-8H,2-6,9,13H2,1H3,(H,14,17).
What are the key properties of 1-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 114130261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).